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r374
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TinkerError.java 323 (11 years ago) by duarte: Moved tinker stuff to its own package
PRMInfo.java 335 (11 years ago) by duarte: Now ConstraintsMaker works also for multi atom contact types (BB and SC) and crosses (either BB/SC or any cross to a single atom contact type) New file aapairsBounds.dat with values for aminoacid side chains distance lower and upper bounds taken from statistics of a set of pdb representatives New in AAinfo: aapairs2bounds and changed getUpperBoundDistance, getUpperBoundDistance to accomodate aapairs2bounds PRMInfo: now for amber "OXT" gets transformed into "O"
ConstraintsMaker.java 346 (11 years ago) by duarte: Doing more input error checks In ConstraintsMaker createConstraints won't throw Exception anymore, we only assery that ALL can't be used
TinkerRunner.java 368 (11 years ago) by duarte: Now parsing tinker's error function value, changed report file format (again!!)
(Current path doesn't exist after revision 950)
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